2-[[3-cyano-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[3-cyano-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]acetamide IUPAC Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]thio]acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H16N4O4S/c1-9-15(10(2)22)16(11-4-3-5-12(6-11)21(24)25)13(7-18)17(20-9)26-8-14(19)23/h3-6,16,20H,8H2,1-2H3,(H2,19,23)